1-[[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-4-ethyl-4-methyl-piperidine-2,6-dione

Systemtic Name: 1-[[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-4-ethyl-4-methyl-piperidine-2,6-dione Openeye Name: 1-[[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-4-ethyl-4-methyl-piperidine-2,6-dione CAS Name: 1-[[(3R)-3-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]methyl]-4-ethyl-4-methylpiperidine-2,6-dione IUPAC Name: 1-[[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-4-ethyl-4-methylpiperidine-2,6-dione Traditional Name: 1-[[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-4-ethyl-4-methyl-piperidine-2,6-quinone Formula: C21H28N3O2S+ MolecularWeight: 386.53092

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CC(=O)N(C(=O)C1)C[NH+]2CCCC(C2)C3=NC4=CC=CC=C4S3)C

Isomeric SMILES

CCC1(CC(=O)N(C(=O)C1)C[NH+]2CCC[C@H](C2)C3=NC4=CC=CC=C4S3)C

InChI

InChI=1S/C21H27N3O2S/c1-3-21(2)11-18(25)24(19(26)12-21)14-23-10-6-7-15(13-23)20-22-16-8-4-5-9-17(16)27-20/h4-5,8-9,15H,3,6-7,10-14H2,1-2H3/p+1/t15-/m1/s1